5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one

C12H13NO3 — CID 82158646

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C12H13NO3/c14-12-4-2-9(13-12)8-1-3-10-11(7-8)16-6-5-15-10/h1,3,7,9H,2,4-6H2,(H,13,14)
InChIKeyFEORHWMZBHFZDH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.41
Rot. Bonds1

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one

5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one (PubChem CID 82158646) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
PubChem CID82158646
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C12H13NO3/c14-12-4-2-9(13-12)8-1-3-10-11(7-8)16-6-5-15-10/h1,3,7,9H,2,4-6H2,(H,13,14)
InChIKeyFEORHWMZBHFZDH-UHFFFAOYSA-N
XLogP1.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione
CID 82622892
(4R,5S)-4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 95450321
(2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 138684601
(5R)-5-(4-fluorophenyl)pyrrolidin-2-one
CID 13293374
3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 82082678
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
5-pyridin-4-ylpyrrolidin-2-one
CID 130009175
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-thiazinane 1,1-dioxide
CID 66217458
4-(5-oxopyrrolidin-2-yl)benzoic acid
CID 126804612
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylcyclobutan-1-one
CID 81415943
(5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one
CID 130722460
2-(1,3-benzodioxol-5-yl)cyclopentane-1,3-dione
CID 121015997

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one (CID 82158646) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one is O=C1CCC(c2ccc3c(c2)OCCO3)N1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one?
The InChIKey is FEORHWMZBHFZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-12-4-2-9(13-12)8-1-3-10-11(7-8)16-6-5-15-10/h1,3,7,9H,2,4-6H2,(H,13,14).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one is sourced from PubChem (CID 82158646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).